Geometry & MOs

Info

ID:	151436
PubChem CID:	53801274
Reduced:	O2N7C25H29 (1)
Stoich.:	A2B7C25D29 (1)
Weight, g/mol:	373.111262
ΔH_f, kcal/mol:	51.98
Dipole, Da:	0.94
IP(EA), eV:	-9.48(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenoxy]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CCC(C)C(CC(C)C(=O)O)C1=NC=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4

DOS

IR

Vibrations